SCHEMBL17217033

SCHEMBL17217033

COc1cccc(/[C]=N\OCc2cccc(C#N)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.43
▸ AGXT P21549 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAOB P27338 7/20 0.42
▸ VNN1 O95497 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ P4HB P07237 1/20 0.40
▸ ACP1 P24666 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17217036 1.00 IDO1 (0.43) IDO1AGXTMEN1ALDH1A1MAPT
SCHEMBL17217580 0.95 IDO1 (0.47) IDO1AGXTMEN1ALDH1A1MAPT
SCHEMBL17217577 0.95 IDO1 (0.47) IDO1AGXTMEN1ALDH1A1MAPT
SCHEMBL17217586 0.91 MEN1 (0.46) MEN1ALDH1A1MAPTTSHRHTT
SCHEMBL17217589 0.91 MEN1 (0.46) MEN1ALDH1A1MAPTTSHRHTT
SCHEMBL17219078 0.90 IDO1 (0.53) IDO1AGXTMAOB
SCHEMBL17219080 0.90 IDO1 (0.53) IDO1AGXTMAOB
SCHEMBL17219258 0.90 RAB9A (0.44) MAPTMAOBFFAR1RAB9A
SCHEMBL17219255 0.90 RAB9A (0.44) MAPTMAOBFFAR1RAB9A
SCHEMBL17217606 0.88 RAB9A (0.49) IDO1AGXTMEN1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 — — EP disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 — — US disclosed
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 — — US disclosed
EP-2940012-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF Sumitomo Chemical Company Limited (JP) 2015-11-04 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 IDO1 2882/4885AGXT 1423/4885MEN1 1163/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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